3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N4O7S/c1-37-23-6-5-20(30(33)34)11-22(23)29-38(35,36)21-4-2-3-19(10-21)25(32)28-27-24(31)15-26-12-16-7-17(13-26)9-18(8-16)14-26/h2-6,10-11,16-18,29H,7-9,12-15H2,1H3,(H,27,31)(H,28,32)